N-(2,2,2-trifluoroethyl)tetradecan-1-amine

C16H32F3N — CID 90672457

IUPACN-(2,2,2-trifluoroethyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCC(F)(F)F
InChIInChI=1S/C16H32F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16(17,18)19/h20H,2-15H2,1H3
InChIKeyCIPUUMBEQLVXEZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.84
Rot. Bonds14

About N-(2,2,2-trifluoroethyl)tetradecan-1-amine

N-(2,2,2-trifluoroethyl)tetradecan-1-amine (PubChem CID 90672457) has the molecular formula C16H32F3N and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)tetradecan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)tetradecan-1-amine
PubChem CID90672457
Molecular FormulaC16H32F3N
Molecular Weight295.43 g/mol
Exact Mass295.25
IUPAC NameN-(2,2,2-trifluoroethyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCC(F)(F)F
InChIInChI=1S/C16H32F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16(17,18)19/h20H,2-15H2,1H3
InChIKeyCIPUUMBEQLVXEZ-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)tetradecan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)tetradecan-1-amine (CID 90672457) is N-(2,2,2-trifluoroethyl)tetradecan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)tetradecan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)tetradecan-1-amine is CCCCCCCCCCCCCCNCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)tetradecan-1-amine?
The InChIKey is CIPUUMBEQLVXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16(17,18)19/h20H,2-15H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)tetradecan-1-amine?
N-(2,2,2-trifluoroethyl)tetradecan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 5.84, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)tetradecan-1-amine is sourced from PubChem (CID 90672457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).